SCHEMBL1758178

SCHEMBL1758178

COc1c(O)ccc(C(=O)c2ccc(O)c(OC)c2O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10082308 0.87 KMT2A (0.55) MAPTTDP1HPGDKDM4ELMNA
SCHEMBL23120369 0.86 ALDH1A1 (0.52) MAPTTDP1NPC1RAB9AHPGD
SCHEMBL12683255 0.86 TDP1 (0.70) MAPTTDP1HPGDKDM4EHSD17B10
SCHEMBL19003471 0.86 HDAC1 (0.64) MAPTTDP1NPC1RAB9AHPGD
SCHEMBL25381912 0.86 MAPT (0.64) MAPTTDP1NPC1RAB9AHPGD
SCHEMBL29215654 0.84 NPC1 (0.55) MAPTTDP1NPC1RAB9AHPGD
SCHEMBL27713896 0.82 MAPT (0.76) MAPTTDP1NPC1RAB9AHPGD
SCHEMBL29215760 0.81 CYP3A4 (0.60) MAPTTDP1RAB9AHPGDKDM4E
SCHEMBL11539485 0.80 MAPT (0.45) MAPTTDP1NPC1RAB9AKDM4E
SCHEMBL11039738 0.79 HPGD (0.58) MAPTNPC1RAB9AHPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767090-B1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO (JP) 2015-08-12 EP disclosed
EP-2573148-A1 CURABLE POWDER COATING COMPOSITION, AND CURED PRODUCT OF SAME Nippon Soda Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130059942-A1 CURABLE POWDER COATING COMPOSITION, AND CURED PRODUCT OF SAME NIPPON SODA CO., LTD. (JP) 2013-03-07 US disclosed
US-7943803-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2011-05-17 US disclosed
US-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD (JP) 2010-10-28 US disclosed
US-7737309-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2010-06-15 US disclosed
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation NIPPON SODA CO., LTD. (JP) 2007-12-06 US disclosed
EP-1767090-A1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO., LTD. (JP) 2007-03-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation STOM, ALB, GANC MAPT 66/4885TDP1 4690/4885NPC1 359/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM MAPT 857/4885TDP1 4820/4885NPC1 392/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.